CID 48710

6-azabicyclo(3.2.1)octane, 6-cyclopentyl-1-(m-hydroxyphenyl)-7-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H27NO
SMILES
CC1C2(CCCC(C2)N1C3CCCC3)C4=CC(=CC=C4)O
InChI
InChI=1S/C19H27NO/c1-14-19(15-6-4-10-18(21)12-15)11-5-9-17(13-19)20(14)16-7-2-3-8-16/h4,6,10,12,14,16-17,21H,2-3,5,7-9,11,13H2,1H3
InChIKey
DWUUASDMLDNNMM-UHFFFAOYSA-N
Compound name
3-(6-cyclopentyl-7-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 171.4
[M+Na]+ 308.19848 181.6
[M+NH4]+ 303.24308 182.6
[M+K]+ 324.17242 175.5
[M-H]- 284.20198 175.7
[M+Na-2H]- 306.18393 176.3
[M]+ 285.20871 174.1
[M]- 285.20981 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.